4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C18H18N4OS — CID 155923994

IUPAC4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)cc1
InChIInChI=1S/C18H18N4OS/c1-18(2,3)13-9-7-12(8-10-13)15(23)20-17-22-21-16(24-17)14-6-4-5-11-19-14/h4-11H,1-3H3,(H,20,22,23)
InChIKeyUBYXZWQCAURZCR-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.15
Rot. Bonds3

About 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 155923994) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID155923994
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)cc1
InChIInChI=1S/C18H18N4OS/c1-18(2,3)13-9-7-12(8-10-13)15(23)20-17-22-21-16(24-17)14-6-4-5-11-19-14/h4-11H,1-3H3,(H,20,22,23)
InChIKeyUBYXZWQCAURZCR-UHFFFAOYSA-N
XLogP4.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 155923994) is 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)cc1.
What is the InChIKey of 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UBYXZWQCAURZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-18(2,3)13-9-7-12(8-10-13)15(23)20-17-22-21-16(24-17)14-6-4-5-11-19-14/h4-11H,1-3H3,(H,20,22,23).
What are the key properties of 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 338.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 155923994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).